Ibogamine-18-carboxylic acid, 12-[(3α)-4-demethyl-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-, methyl ester

CAS Registry Number®

66086-99-5
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CAS Name

Ibogamine-18-carboxylic acid, 12-[(3α)-4-demethyl-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-, methyl ester

Molecular Formula

C42H50N4O5

Molecular Mass

690.87

Cite this Page

Ibogamine-18-carboxylic acid, 12-[(3α)-4-demethyl-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=66086-99-5 (retrieved 2024-05-14) (CAS RN: 66086-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-16-29(35(49-3)18-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3

InChIKey

InChIKey=PIUQMWWFBLVDEE-UHFFFAOYSA-N

SMILES

C(OC)(=O)C12C3=C(C=4C(N3)=CC(OC)=C(C4)C5C6=C(C=7C(N6)=CC=CC7)CC8C(C(OC)=O)C(C5)C(=CC)CN8)CCN9C1C(CC)CC(C2)C9

Canonical SMILES

O=C(OC)C1C2NCC(=CC)C1CC(C3=CC4=C(C=C3OC)NC5=C4CCN6CC7CC(CC)C6C5(C(=O)OC)C7)C=8NC=9C=CC=CC9C8C2

Other Names for this Substance

  • Ibogamine-18-carboxylic acid, 12-[(3α)-4-demethyl-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-, methyl ester
  • 2,6-Methano-1H-azecino[5,4-b]indole, ibogamine-18-carboxylic acid deriv.
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv.
  • Vobasan, ibogamine-18-carboxylic acid deriv.
  • Gabunamine

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